FIALA, Radovan, Markéta MUNZAROVÁ and Vladimír SKLENÁŘ. Experiments for Correlating Quaternary Carbons in RNA Bases. Journal of Biomolecular NMR. Dordrecht: Kluwer/Escom, vol. 29, No 4, p. 477-490. ISSN 0925-2738. 2004.
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Basic information
Original name Experiments for Correlating Quaternary Carbons in RNA Bases
Name in Czech Experimenty pro korelaci kvarterních atomů uhlíku v bazích RNA
Authors FIALA, Radovan (203 Czech Republic), Markéta MUNZAROVÁ (203 Czech Republic) and Vladimír SKLENÁŘ (203 Czech Republic, guarantor).
Edition Journal of Biomolecular NMR, Dordrecht, Kluwer/Escom, 2004, 0925-2738.
Other information
Original language English
Type of outcome Article in a journal
Field of Study 10600 1.6 Biological sciences
Country of publisher Czech Republic
Confidentiality degree is not subject to a state or trade secret
Impact factor Impact factor: 2.918
RIV identification code RIV/00216224:14310/04:00010703
Organization unit Faculty of Science
UT WoS 000222502200002
Keywords in English ab initio; correlation; DFT; NMR; quternary carbon; RNA; spin-spin coupling
Tags Ab initio, correlation, DFT, NMR, quternary carbon, RNA, spin-spin coupling
Changed by Changed by: doc. RNDr. Radovan Fiala, CSc., učo 564. Changed: 17/1/2005 12:19.
Abstract
The paper presents a set of triple-resonance two-dimensional experiments for correlating all quaternary carbons in RNA bases to one or more of the base protons. The experiments make use of either three-bond proton-carbon couplings and one selective INEPT step (the long-range selective HSQC experiment) to transfer the magnetization between a proton and the carbon of interest and back, or they rely on one- and/or two-bond heteronuclear (the H(CN)C and H(N)C experiments) or carbon-carbon couplings (the H(C)C experiment) and multiple INEPT transfer steps. The effect of the large one-bond carbon-carbon coupling in t1 is removed by a constant time evolution or by a selective refocusing. The performance of the proposed approach is demonstrated on a 0.5 mM 25-mer RNA. The results show that the experiments are applicable to samples containing agents for weak molecular alignment. The design of the correlation experiments has been supported by ab initio calculations of scalar spin-spin couplings for the AU and GC base pairs. The ab initio data reveal surprisingly high values of guanine 2JN1C5 and uracil 2JN3C5 couplings that are in a qualitative agreement with the experimental data. The sensitivity of the spin-spin couplings to base pairing as well as the agreement with the experiment depend strongly on the type of nuclei involved and the number of bonds separating them.
Abstract (in Czech)
Článek uvádí nové heteronukleární 2D NMR experimenty pro korelaci všech kvarterních uhlíků v bázích RNA s jedním nebo více jádry vodíku. Experimenty jsou založeny na jedno, dvou nebo třívazebných interakcích a několikanásobných přenosech magnetizace. Štěpení signálu vlivem jednovazebné interakce uhlík-uhlík je odstraněno pomozí vývoje v konstantním čase nebo selektivní refokusací. Citlivost navrhovaných experimentů dovoluje naměřit spektra 0.5 mM 25-meru RNA za čtyři hodiny nebo méně. Experimenty jsou aplikovatelné i na vzorky v orietovaných fázích.
Links
LN00A016, research and development projectName: BIOMOLEKULÁRNÍ CENTRUM
Investor: Ministry of Education, Youth and Sports of the CR, Biomolecular Center
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